3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine

C14H15ClN4 — CID 13498852

IUPAC3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine
SMILESClc1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C14H15ClN4/c15-13-6-7-14(17-16-13)19-10-8-18(9-11-19)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyQNLZUFZZTZLULV-UHFFFAOYSA-N
MW274.76 g/mol
LogP2.46
Rot. Bonds2

About 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine

3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine (PubChem CID 13498852) has the molecular formula C14H15ClN4 and a molecular weight of 274.76 g/mol. Its IUPAC name is 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine
PubChem CID13498852
Molecular FormulaC14H15ClN4
Molecular Weight274.76 g/mol
Exact Mass274.10
IUPAC Name3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine
SMILESClc1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C14H15ClN4/c15-13-6-7-14(17-16-13)19-10-8-18(9-11-19)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyQNLZUFZZTZLULV-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine (CID 13498852) is 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine is Clc1ccc(N2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine?
The InChIKey is QNLZUFZZTZLULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-13-6-7-14(17-16-13)19-10-8-18(9-11-19)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine?
3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine has a molecular weight of 274.76 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-phenylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 13498852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).